carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten

C26H23O5PW — CID 11445025

IUPACcarbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten
SMILESCC1=C[C@@H]2C(C(C)C)=CC3=C(C)C=C[C@]13P2c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C21H23P.5CO.W/c1-14(2)18-13-19-15(3)10-11-21(19)16(4)12-20(18)22(21)17-8-6-5-7-9-17;5*1-2;/h5-14,20H,1-4H3;;;;;;/t20-,21+,22?;;;;;;/m1....../s1
InChIKeyTWORIHISEDSQOG-LOWMAGNMSA-N
MW630.28 g/mol
LogP5.15
Rot. Bonds2

About carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten

carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten (PubChem CID 11445025) has the molecular formula C26H23O5PW and a molecular weight of 630.28 g/mol. Its IUPAC name is carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten.

Molecular Properties

Compound Namecarbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten
PubChem CID11445025
Molecular FormulaC26H23O5PW
Molecular Weight630.28 g/mol
Exact Mass630.08
IUPAC Namecarbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten
SMILESCC1=C[C@@H]2C(C(C)C)=CC3=C(C)C=C[C@]13P2c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C21H23P.5CO.W/c1-14(2)18-13-19-15(3)10-11-21(19)16(4)12-20(18)22(21)17-8-6-5-7-9-17;5*1-2;/h5-14,20H,1-4H3;;;;;;/t20-,21+,22?;;;;;;/m1....../s1
InChIKeyTWORIHISEDSQOG-LOWMAGNMSA-N
XLogP5.15
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.28
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten?
The IUPAC name of carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten (CID 11445025) is carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten.
What is the SMILES notation for carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten?
The canonical SMILES for carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten is CC1=C[C@@H]2C(C(C)C)=CC3=C(C)C=C[C@]13P2c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten?
The InChIKey is TWORIHISEDSQOG-LOWMAGNMSA-N. The full InChI is InChI=1S/C21H23P.5CO.W/c1-14(2)18-13-19-15(3)10-11-21(19)16(4)12-20(18)22(21)17-8-6-5-7-9-17;5*1-2;/h5-14,20H,1-4H3;;;;;;/t20-,21+,22?;;;;;;/m1....../s1.
What are the key properties of carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten?
carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten has a molecular weight of 630.28 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(1S,8R)-4,10-dimethyl-11-phenyl-7-propan-2-yl-11-phosphatricyclo[6.2.1.01,5]undeca-2,4,6,9-tetraene;tungsten is sourced from PubChem (CID 11445025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).